What does this research mean for the field?

Newly synthesized Ni(II) complexes of thiosemicarbazide-based Schiff bases exhibit enhanced antimicrobial and cytotoxic activities compared to their free ligands due to increased lipophilicity, with complex [Ni(L2)2] demonstrating optimal stability and bioavailability. Novelty: ClaimNovelty.NOVEL_FINDING. Consensus alignment: ConsensusAlignment.NEUTRAL.

What question did this study set out to answer?

Synthesize and structurally characterize thiosemicarbazide-derived Schiff base ligands and their nickel(II) complexes to evaluate their biological efficacy and computational target-binding capabilities.

September 5, 2026Spectroscopy Letters

Synthesis, characterization, biological activity evaluation, and in silico study of thiosemicarbazide-based Schiff bases and their Ni(II) complexes

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Authors

MIMd. Tariqul Islam MRMd. Sohel Rana MHMd. Saddam Hossain

Discussion

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Overview

Experimental and computational study demonstrates enhanced antimicrobial and cytotoxic potency of nickel(II) Schiff base complexes, highlighting their therapeutic potential.

Key Points

Synthesize and structurally characterize thiosemicarbazide-derived Schiff base ligands and their nickel(II) complexes to evaluate their biological efficacy and computational target-binding capabilities.
Synthesized three Schiff base ligands via condensation reactions with thiosemicarbazide and coordinated them with nickel(II), characterizing structures using FTIR, UV-Vis, magnetic moment, and thermogravimetric analyses.
Assessed antimicrobial potency against four bacterial strains (S. aureus, E. coli, B. cereus, and P. aeruginosa) via agar disk diffusion and determined cytotoxic effects using brine shrimp lethality assays.
Conducted density functional theory (DFT/B3LYP) calculations, SwissADME pharmacokinetic screening, and molecular docking against bacterial target proteins (PDB IDs: 1JIJ, 1Q8I, 5V8E, and 6P8U).
Spectroscopic and thermal data demonstrated that the ligands coordinated in a bidentate uni-negative mode, forming nickel(II) complexes with distorted square planar geometry.
Nickel(II) complexes exhibited markedly higher antimicrobial and cytotoxic activity than uncomplexed ligands, which was attributed to increased lipophilicity facilitating bacterial membrane penetration.
In silico profiling revealed that ligand HL2 and complex [Ni(L2)2] displayed superior ground-state electronic stability, favorable drug-likeness parameters, and strong binding affinity toward bacterial targets.

Cite This Study

Islam et al. (2026) studied this question.

synapsesocial.com/papers/6a9bd4216b95aff0620eb8b5 https://doi.org/10.1080/00387010.2026.2727129

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September 5, 2026Spectroscopy Letters

Synthesis, characterization, biological activity evaluation, and in silico study of thiosemicarbazide-based Schiff bases and their Ni(II) complexes

View Full Paper

Ask AI

Bookmark

Authors

MIMd. Tariqul Islam MRMd. Sohel Rana MHMd. Saddam Hossain

Discussion

Member takes

Overview

Experimental and computational study demonstrates enhanced antimicrobial and cytotoxic potency of nickel(II) Schiff base complexes, highlighting their therapeutic potential.

Key Points

Synthesize and structurally characterize thiosemicarbazide-derived Schiff base ligands and their nickel(II) complexes to evaluate their biological efficacy and computational target-binding capabilities.
Synthesized three Schiff base ligands via condensation reactions with thiosemicarbazide and coordinated them with nickel(II), characterizing structures using FTIR, UV-Vis, magnetic moment, and thermogravimetric analyses.
Assessed antimicrobial potency against four bacterial strains (S. aureus, E. coli, B. cereus, and P. aeruginosa) via agar disk diffusion and determined cytotoxic effects using brine shrimp lethality assays.
Conducted density functional theory (DFT/B3LYP) calculations, SwissADME pharmacokinetic screening, and molecular docking against bacterial target proteins (PDB IDs: 1JIJ, 1Q8I, 5V8E, and 6P8U).
Spectroscopic and thermal data demonstrated that the ligands coordinated in a bidentate uni-negative mode, forming nickel(II) complexes with distorted square planar geometry.
Nickel(II) complexes exhibited markedly higher antimicrobial and cytotoxic activity than uncomplexed ligands, which was attributed to increased lipophilicity facilitating bacterial membrane penetration.
In silico profiling revealed that ligand HL2 and complex [Ni(L2)2] displayed superior ground-state electronic stability, favorable drug-likeness parameters, and strong binding affinity toward bacterial targets.

Cite This Study

Islam et al. (2026) studied this question.

synapsesocial.com/papers/6a9bd4216b95aff0620eb8b5 https://doi.org/10.1080/00387010.2026.2727129

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